4-[4-amino-3-(3-phenylanilino)phenyl]phenol

C24H20N2O — CID 88990792

IUPAC4-[4-amino-3-(3-phenylanilino)phenyl]phenol
SMILESNc1ccc(-c2ccc(O)cc2)cc1Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H20N2O/c25-23-14-11-20(18-9-12-22(27)13-10-18)16-24(23)26-21-8-4-7-19(15-21)17-5-2-1-3-6-17/h1-16,26-27H,25H2
InChIKeyIJOWAPSBJFURRY-UHFFFAOYSA-N
MW352.44 g/mol
LogP6.05
Rot. Bonds4

About 4-[4-amino-3-(3-phenylanilino)phenyl]phenol

4-[4-amino-3-(3-phenylanilino)phenyl]phenol (PubChem CID 88990792) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[4-amino-3-(3-phenylanilino)phenyl]phenol.

Molecular Properties

Compound Name4-[4-amino-3-(3-phenylanilino)phenyl]phenol
PubChem CID88990792
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name4-[4-amino-3-(3-phenylanilino)phenyl]phenol
SMILESNc1ccc(-c2ccc(O)cc2)cc1Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H20N2O/c25-23-14-11-20(18-9-12-22(27)13-10-18)16-24(23)26-21-8-4-7-19(15-21)17-5-2-1-3-6-17/h1-16,26-27H,25H2
InChIKeyIJOWAPSBJFURRY-UHFFFAOYSA-N
XLogP6.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(3-phenylanilino)phenyl]phenol?
The IUPAC name of 4-[4-amino-3-(3-phenylanilino)phenyl]phenol (CID 88990792) is 4-[4-amino-3-(3-phenylanilino)phenyl]phenol.
What is the SMILES notation for 4-[4-amino-3-(3-phenylanilino)phenyl]phenol?
The canonical SMILES for 4-[4-amino-3-(3-phenylanilino)phenyl]phenol is Nc1ccc(-c2ccc(O)cc2)cc1Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-[4-amino-3-(3-phenylanilino)phenyl]phenol?
The InChIKey is IJOWAPSBJFURRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c25-23-14-11-20(18-9-12-22(27)13-10-18)16-24(23)26-21-8-4-7-19(15-21)17-5-2-1-3-6-17/h1-16,26-27H,25H2.
What are the key properties of 4-[4-amino-3-(3-phenylanilino)phenyl]phenol?
4-[4-amino-3-(3-phenylanilino)phenyl]phenol has a molecular weight of 352.44 g/mol, XLogP of 6.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(3-phenylanilino)phenyl]phenol is sourced from PubChem (CID 88990792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).